Information card for entry 1512938

Structure parameters

• Formula: C39 H66 Hf2 O11
• Calculated formula: C39 H66 Hf2 O11
• SMILES: [Hf]123([O]4[Hf](Oc5c(ccc(OC)c5)C=4c4ccc(OC)cc4O1)(OC(C)(C)C)(OC(C)(C)C)([O]2C(C)(C)C)[O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2010
• Journal volume: 364
• Journal issue: 1
• Pages of publication: 69 - 80
• a: 10.1315 ± 0.0011 Å
• b: 13.2443 ± 0.0015 Å
• c: 19.213 ± 0.002 Å
• α: 103.89 ± 0.002°
• β: 104.987 ± 0.002°
• γ: 90.537 ± 0.002°
• Cell volume: 2410.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No